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4-butoxy-2-(2,2-dimethylpropyl)-7-fluoranyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

4-butoxy-2-(2,2-dimethylpropyl)-7-fluoranyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name:4-butoxy-2-(2,2-dimethylpropyl)-7-fluoranyl-1-oxidanylidene-isoquinoline-3-carboxylic acid
Openeye Name:4-butoxy-2-(2,2-dimethylpropyl)-7-fluoro-1-oxo-isoquinoline-3-carboxylic acid
CAS Name:4-butoxy-2-(2,2-dimethylpropyl)-7-fluoro-1-oxo-3-isoquinolinecarboxylic acid
IUPAC Name:4-butoxy-2-(2,2-dimethylpropyl)-7-fluoro-1-oxoisoquinoline-3-carboxylic acid
Traditional Name:4-butoxy-7-fluoro-1-keto-2-neopentyl-isoquinoline-3-carboxylic acid
Formula: C19H24FNO4
MolecularWeight: 349.396563
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)F)CC(C)(C)C)C(=O)O


Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)F)CC(C)(C)C)C(=O)O


InChI

InChI=1S/C19H24FNO4/c1-5-6-9-25-16-13-8-7-12(20)10-14(13)17(22)21(11-19(2,3)4)15(16)18(23)24/h7-8,10H,5-6,9,11H2,1-4H3,(H,23,24)


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